1-bromo-N-(1-phenylpropan-2-yl)methanesulfonamide

C10H14BrNO2S — CID 83085970

IUPAC1-bromo-N-(1-phenylpropan-2-yl)methanesulfonamide
SMILESCC(Cc1ccccc1)NS(=O)(=O)CBr
InChIInChI=1S/C10H14BrNO2S/c1-9(12-15(13,14)8-11)7-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3
InChIKeyYLHDPUSNUSXHFZ-UHFFFAOYSA-N
MW292.20 g/mol
LogP1.89
Rot. Bonds5

About 1-bromo-N-(1-phenylpropan-2-yl)methanesulfonamide

1-bromo-N-(1-phenylpropan-2-yl)methanesulfonamide (PubChem CID 83085970) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 1-bromo-N-(1-phenylpropan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(1-phenylpropan-2-yl)methanesulfonamide
PubChem CID83085970
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name1-bromo-N-(1-phenylpropan-2-yl)methanesulfonamide
SMILESCC(Cc1ccccc1)NS(=O)(=O)CBr
InChIInChI=1S/C10H14BrNO2S/c1-9(12-15(13,14)8-11)7-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3
InChIKeyYLHDPUSNUSXHFZ-UHFFFAOYSA-N
XLogP1.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-phenylpropan-2-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106062418
1-(4-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide
CID 63012782
1-(2-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide
CID 63010726
2-amino-N-(1-phenylpropan-2-yl)benzenesulfonamide
CID 63012265
N-(1-bromo-3-phenylpropan-2-yl)-2-methylpropane-1-sulfonamide
CID 113271623
N-(1-chloropropan-2-yl)-2-phenylethanesulfonamide
CID 80688482
3-(4-phenylbutan-2-ylsulfamoyl)propanoic acid
CID 43361780
N-(1-bromo-3-phenylpropan-2-yl)methanesulfonamide
CID 114296939
N-methyl-1-phenylpropan-2-amine
CID 118309477
N-benzyl-1-bromomethanesulfonamide
CID 75373678
1-methyl-2-(1-phenylpropan-2-yl)hydrazine
CID 26556
N-(1-phenylpropan-2-yl)thiohydroxylamine
CID 23498394

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(1-phenylpropan-2-yl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(1-phenylpropan-2-yl)methanesulfonamide (CID 83085970) is 1-bromo-N-(1-phenylpropan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(1-phenylpropan-2-yl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(1-phenylpropan-2-yl)methanesulfonamide is CC(Cc1ccccc1)NS(=O)(=O)CBr.
What is the InChIKey of 1-bromo-N-(1-phenylpropan-2-yl)methanesulfonamide?
The InChIKey is YLHDPUSNUSXHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-9(12-15(13,14)8-11)7-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3.
What are the key properties of 1-bromo-N-(1-phenylpropan-2-yl)methanesulfonamide?
1-bromo-N-(1-phenylpropan-2-yl)methanesulfonamide has a molecular weight of 292.20 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(1-phenylpropan-2-yl)methanesulfonamide is sourced from PubChem (CID 83085970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).